4-(4-fluorophenyl)sulfonylpiperazin-2-one

C10H11FN2O3S — CID 4320295

IUPAC4-(4-fluorophenyl)sulfonylpiperazin-2-one
SMILESO=C1CN(S(=O)(=O)c2ccc(F)cc2)CCN1
InChIInChI=1S/C10H11FN2O3S/c11-8-1-3-9(4-2-8)17(15,16)13-6-5-12-10(14)7-13/h1-4H,5-7H2,(H,12,14)
InChIKeyFGMQKFFPTFXRTN-UHFFFAOYSA-N
MW258.27 g/mol
LogP-0.05
Rot. Bonds2

About 4-(4-fluorophenyl)sulfonylpiperazin-2-one

4-(4-fluorophenyl)sulfonylpiperazin-2-one (PubChem CID 4320295) has the molecular formula C10H11FN2O3S and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfonylpiperazin-2-one
PubChem CID4320295
Molecular FormulaC10H11FN2O3S
Molecular Weight258.27 g/mol
Exact Mass258.05
IUPAC Name4-(4-fluorophenyl)sulfonylpiperazin-2-one
SMILESO=C1CN(S(=O)(=O)c2ccc(F)cc2)CCN1
InChIInChI=1S/C10H11FN2O3S/c11-8-1-3-9(4-2-8)17(15,16)13-6-5-12-10(14)7-13/h1-4H,5-7H2,(H,12,14)
InChIKeyFGMQKFFPTFXRTN-UHFFFAOYSA-N
XLogP-0.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfonylpiperazin-2-one?
The IUPAC name of 4-(4-fluorophenyl)sulfonylpiperazin-2-one (CID 4320295) is 4-(4-fluorophenyl)sulfonylpiperazin-2-one.
What is the SMILES notation for 4-(4-fluorophenyl)sulfonylpiperazin-2-one?
The canonical SMILES for 4-(4-fluorophenyl)sulfonylpiperazin-2-one is O=C1CN(S(=O)(=O)c2ccc(F)cc2)CCN1.
What is the InChIKey of 4-(4-fluorophenyl)sulfonylpiperazin-2-one?
The InChIKey is FGMQKFFPTFXRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3S/c11-8-1-3-9(4-2-8)17(15,16)13-6-5-12-10(14)7-13/h1-4H,5-7H2,(H,12,14).
What are the key properties of 4-(4-fluorophenyl)sulfonylpiperazin-2-one?
4-(4-fluorophenyl)sulfonylpiperazin-2-one has a molecular weight of 258.27 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfonylpiperazin-2-one is sourced from PubChem (CID 4320295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).